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Compound Detail

CHEMBL109378

DETERENOL
🧪 Phase II
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🧪 Phase II
CC(C)NCC(O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109378
Name DETERENOL
Phase Phase II
Structure Type MOL
InChI Key MPCPSVWSWKWJLO-UHFFFAOYSA-N

Known Names

(+/-)-PI 39 Deterenol Dl-n-isopropyloctopamine Isopropylnorsynephrine Paraproterenol PI-39
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
6
Known Names

Molecular Properties

195.3
MW (Da)
1.42
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Year 1970

Extended Properties

Molecular Formula C11H17NO2
MW 195.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.21

Activity Summary

Kd 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL3373
 Kd 5.37 5.37 4270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor Kd = 4270.0 nM 5.37 Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... 2993621

Literature References

PubMed DOI Target Context # Activities
6115058 10.1021/jm00135a015 Canis familiaris 5
20503 10.1021/jm00220a600 Unchecked 4
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 3
2993621 10.1021/jm00147a037 Beta-2 adrenergic receptor 2
20504 10.1021/jm00220a007 Beta-2 adrenergic receptor 2
20504 10.1021/jm00220a007 Beta-1 adrenergic receptor 2
20504 10.1021/jm00220a007 Unchecked 1

Data from ChEMBL 36 via Core Engine